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ALLOPREGNENOLONE;5-ALPHA-PREGNA-16-ENE-3-BETA-OL-20-ONE
SpectraBase Compound ID 86qPMJzdm30
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1
InChIKey SFXPZLCQRZASKK-CKBUFISISA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8z9HSdou0pd
Name ALLOPREGNENOLONE;5-ALPHA-PREGNA-16-ENE-3-BETA-OL-20-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1
InChIKey SFXPZLCQRZASKK-CKBUFISISA-N
Literature Reference Author T.NOHARA,E.IWAKAWA,S.MATSUSHITA,Y.FUJIWARA,T.IKEDA,H.MIYASHI TA,M.ONO
Literature Reference Citation CHEM.PHARM.BULL.,56,1013(2008)
Literature Reference DOI 10.1248/cpb.56.1013
Molecular Weight 316.484 g/mol
Sample ID 1889
Solvent C5D5N:D2O